2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one

C18H14FN3O — CID 90681336

IUPAC2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc2c(=O)n(C)c3cc(-c4cccc(F)c4)nn3c2c1
InChIInChI=1S/C18H14FN3O/c1-11-6-7-14-16(8-11)22-17(21(2)18(14)23)10-15(20-22)12-4-3-5-13(19)9-12/h3-10H,1-2H3
InChIKeyVLDXRHJNJNUMFF-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.30
Rot. Bonds1

About 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one

2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one (PubChem CID 90681336) has the molecular formula C18H14FN3O and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
PubChem CID90681336
Molecular FormulaC18H14FN3O
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
SMILESCc1ccc2c(=O)n(C)c3cc(-c4cccc(F)c4)nn3c2c1
InChIInChI=1S/C18H14FN3O/c1-11-6-7-14-16(8-11)22-17(21(2)18(14)23)10-15(20-22)12-4-3-5-13(19)9-12/h3-10H,1-2H3
InChIKeyVLDXRHJNJNUMFF-UHFFFAOYSA-N
XLogP3.30
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one (CID 90681336) is 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one is Cc1ccc2c(=O)n(C)c3cc(-c4cccc(F)c4)nn3c2c1.
What is the InChIKey of 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is VLDXRHJNJNUMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O/c1-11-6-7-14-16(8-11)22-17(21(2)18(14)23)10-15(20-22)12-4-3-5-13(19)9-12/h3-10H,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one?
2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 307.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 90681336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).